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CS-W001157 4
Total: USD 88.00

Methyl 2-(cyanomethoxy)benzoate

  • CAS No. 1641-00-5

  • Cat. No. CS-0447765
  • Molecule weight191.18
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

Methyl 2-(cyanomethoxy)benzoate|CS-0447765

Structure of 1641-00-5

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General Information

  • CAS No. 1641-00-5
  • Cat. No. CS-0447765
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₃
  • Molecular Weight 191.18
  • Synonym(s) METHYL 2-(CYANOMETHOXY)BENZENECARBOXYLATE
  • SMILES COC(=O)C1=CC=CC=C1OCC#N

Synthesis

  • Route1
    • null|null
      590-17-0
    • Methyl salicylate, food grade|CS-0890223
      119-36-8
    • ~75%
    • Methyl 2-(cyanomethoxy)benzoate|CS-0447765
      1641-00-5

    References

    • Yu, Guanping; Kuo, David; Shoham, Menachem; Viswanathan, Rajesh ACS Combinatorial Science, 2014 , vol. 16, # 2 p. 85 - 91
  • Route2
    • null|null
      107-14-2
    • Methyl salicylate, food grade|CS-0890223
      119-36-8
    • ~%
    • Methyl 2-(cyanomethoxy)benzoate|CS-0447765
      1641-00-5

    References

    • Journal of Organic Chemistry, , vol. 56, # 6 p. 2260 - 2262

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302+H312-H315-H319-H331-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   59.32
  • LogP   1.37558
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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